| CAS Number | 1500358-48-4 |
| Catalog Number | AG01C6LT |
| Chemical Name | Ethyl 5-iodo-1,3-thiazole-2-carboxylate |
| IUPAC Name | ethyl 5-iodo-1,3-thiazole-2-carboxylate |
| InChI | InChI=1S/C6H6INO2S/c1-2-10-6(9)5-8-3-4(7)11-5/h3H,2H2,1H3 |
| InChI Key | JMMYMFAREZBJOF-UHFFFAOYSA-N |
| MDL Number | MFCD21728858 |
| Molecular Formula | C6H6INO2S |
| Molecular Weight | 283.0868 |
| SMILES | CCOC(C1SC(I)=CN=1)=O |
| Synonyms | ethyl 5-iodo-1,3-thiazole-2-carboxylate,
1500358-48-4,
SCHEMBL10272646,
ZINC85352149,
AKOS015564611,
Z2467523304,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.916g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.083g/mol |
| Monoisotopic Mass | 282.916g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number